Dear all,
we have compiled the trunk version 458 employing mpiifort
4.1.0.024 and MKL 10.3 update 6. When VDW-DF calculations are performed for
hydrogen containing systems, we always got the error message:
GHOST: WARNING: Ghost state for L = 1
KBgen: WARNING: Some parameter should be changed in the
KBgen: WARNING: pseudopotential generation procedure.
Stopping Program from Node: 0
Many pseudos for hydrogen were tested and we always receive the same error
message. The thing which puzzles us more is that the pseudos that we have work
well with previous versions of siesta (like trunk 320 and trunk339).
Notes: a) The problem only occurs when the VDW-DF functional is called, for PBE
everything goes well.
b) For C,N,O,F,S,Si the VDW-DF pseudos work well
any clue?
Many thanks
Best regards,
pablo
